SCHEMBL9714249

SCHEMBL9714249

C[C@H](COc1ccc(Oc2ccccc2)cc1)CC(=O)O

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.61
ITGB3 P05106 1/20 0.54
ITGA2B P08514 1/20 0.54
LMNA P02545 1/20 0.51
MTNR1A P48039 3/20 0.50
MTNR1B P49286 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HTR1D P28221 1/20 0.49
HTR1B P28222 1/20 0.49
LTA4H P09960 3/20 0.49
MMP12 P39900 1/20 0.47
MMP13 P45452 1/20 0.47
FFAR4 Q5NUL3 1/20 0.47
PPARA Q07869 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11764995 0.85 MAPT (0.54) FFAR1ITGB3ITGA2BLMNAMTNR1A
SCHEMBL11761040 0.84 FFAR1 (0.51) FFAR1LMNAMTNR1AMTNR1BSMN1; SMN2
SCHEMBL25832150 0.83 ITGB3 (0.57) FFAR1ITGB3ITGA2BLMNA
SCHEMBL21991933 0.83 ITGB3 (0.57) FFAR1ITGB3ITGA2B
SCHEMBL14157457 0.83 ITGB3 (0.57) FFAR1ITGB3ITGA2BLMNA
SCHEMBL21991333 0.82 ITGB3 (0.56) FFAR1ITGB3ITGA2BPPARA
SCHEMBL27916324 0.81 ITGB3 (0.54) FFAR1ITGB3ITGA2BSMN1; SMN2LTA4H
SCHEMBL14157447 0.79 ADRB2 (0.54) FFAR1ITGB3ITGA2BLMNASMN1; SMN2
SCHEMBL5228349 0.79 ITGB3 (0.53) FFAR1ITGB3ITGA2BLMNASMN1; SMN2
SCHEMBL10334338 0.79 MTNR1A (0.55) FFAR1LMNAMTNR1AMTNR1BHTR1D

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0246713-B1 INTERMEDIATES FOR THE PRODUCTION OF NITROGEN-CONTAINING SUBSTITUTED HETEROCYCLIC COMPOUNDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-03-04 EP claimed